Re: [AMBER] rmsd calculations on multiple trajectories

From: Daniel Roe <daniel.r.roe.gmail.com>
Date: Fri, 29 Jul 2016 09:36:35 -0600

On Fri, Jul 29, 2016 at 9:30 AM, Carlos Simmerling
<carlos.simmerling.gmail.com> wrote:
> my guess is that cpptraj is not set up to load an arbitrary number of
> prmtop files,

Cpptraj can load as many topology files as memory will allow. Loading
multiple topology files was actually one of my primary motivations for
writing cpptraj in the first place :-)

-Dan

-- 
-------------------------
Daniel R. Roe, PhD
Department of Medicinal Chemistry
University of Utah
30 South 2000 East, Room 307
Salt Lake City, UT 84112-5820
http://home.chpc.utah.edu/~cheatham/
(801) 587-9652
(801) 585-6208 (Fax)
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber

Received on Fri Jul 29 2016 - 09:00:03 PDT